imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine

C34H29N11 — CID 68628542

IUPACimidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine
SMILESc1ccc2[nH]ncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C8H7N.3C7H6N2.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-4-5(8-2-6-1)9-3-7-4/h1-7H;2*1-6H;1-5H,(H,8,9);1-3H,(H,6,7,8,9)
InChIKeyPSCSMRNRTOEJAY-UHFFFAOYSA-N
MW591.68 g/mol
LogP6.52
Rot. Bonds

About imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine

imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine (PubChem CID 68628542) has the molecular formula C34H29N11 and a molecular weight of 591.68 g/mol. Its IUPAC name is imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine
PubChem CID68628542
Molecular FormulaC34H29N11
Molecular Weight591.68 g/mol
Exact Mass591.26
IUPAC Nameimidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine
SMILESc1ccc2[nH]ncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C8H7N.3C7H6N2.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-4-5(8-2-6-1)9-3-7-4/h1-7H;2*1-6H;1-5H,(H,8,9);1-3H,(H,6,7,8,9)
InChIKeyPSCSMRNRTOEJAY-UHFFFAOYSA-N
XLogP6.52
TPSA122.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.68
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine?
The IUPAC name of imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine (CID 68628542) is imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine.
What is the SMILES notation for imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine?
The canonical SMILES for imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine is c1ccc2[nH]ncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ncc2[nH]cnc2n1.
What is the InChIKey of imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine?
The InChIKey is PSCSMRNRTOEJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.3C7H6N2.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-4-5(8-2-6-1)9-3-7-4/h1-7H;2*1-6H;1-5H,(H,8,9);1-3H,(H,6,7,8,9).
What are the key properties of imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine?
imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine has a molecular weight of 591.68 g/mol, XLogP of 6.52, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;7H-purine is sourced from PubChem (CID 68628542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).